BDBM50130606 19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]-4,24-diazaheptacyclo[12.7.3.22,13.01,13.03,11.05,10.016,21]hexacosa-3(11),5(10),6,8,16(21),17,19-heptaen-20-ol::CHEMBL108608

SMILES: COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O

InChI Key: InChIKey=JLMRSZXETXDEJC-JAFNVPGYSA-N

Data: 3 KI  3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50130606   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50130606 (19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...) Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10| Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity for human Opioid receptor mu 1 transfected into chinese hamster ovary cells by displacing [3H]DAMGO radioligand				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50130606 (19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...) Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10| Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50130606 (19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...) Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10| Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50130606 (19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...) Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10| Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Effective concentration agonistic activity towards Opioid receptor mu 1				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50130606 (19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...) Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10| Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonistic activity towards Opioid receptor delta 1				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50130606 (19-methoxy-24-methyl-26-[1-phenyl-(E)-methylidene]...) Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C\c3ccccc3)c2c1O |TLB:35:34:16:8.11.10,4:5:16:8.11.10| Show InChI InChI=1S/C33H32N2O2/c1-35-15-14-33-28-22(16-20-8-4-3-5-9-20)18-32(33,19-24-23-10-6-7-11-25(23)34-30(24)28)27(35)17-21-12-13-26(37-2)31(36)29(21)33/h3-13,16,27-28,34,36H,14-15,17-19H2,1-2H3/b22-16+/t27?,28-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	323	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonistic activity towards Opioid receptor kappa 1				J Med Chem 46: 3174-7 (2003) Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD
					More data for this Ligand-Target Pair